Molecule ID: mol15080
SMILES: Cc1nn(C)c(N(C)C(=O)CN)c1C(=O)c1ccccc1F
InChI: InChI=1S/C15H17FN4O2/c1-9-13(14(22)10-6-4-5-7-11(10)16)15(20(3)18-9)19(2)12(21)8-17/h4-7H,8,17H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.52 | QSARToolbox | 1 » 0 |
| 7.52 | Datawarrior | 1 » 0 |
| 7.52 | OCHEM | 1 » 0 |